General Information of the Compound
| Compound ID |
CP0414751
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| Compound Name |
3-[[6-(4-hydroxy-4-methylpiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid
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| Structure |
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| Formula |
C22H27N3O4
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| Molecular Weight |
397.475
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| Canonical SMILES |
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)N1CCC(C)(O)CC1
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| InChI |
InChI=1S/C22H27N3O4/c1-13-5-7-16(21(27)28)15(3)18(13)24-20(26)19-14(2)6-8-17(23-19)25-11-9-22(4,29)10-12-25/h5-8,29H,9-12H2,1-4H3,(H,24,26)(H,27,28)
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| InChIKey |
DMKYRXNSYOVNLS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound